2-(cyclohexylamino)-1-(2-hydroxyethyl)-4-methyl-benzo[e][1,3]benzothiazol-1-ium-5-ol

Systemtic Name: 2-(cyclohexylamino)-1-(2-hydroxyethyl)-4-methyl-benzo[e][1,3]benzothiazol-1-ium-5-ol Openeye Name: 2-(cyclohexylamino)-1-(2-hydroxyethyl)-4-methyl-benzo[e][1,3]benzothiazol-1-ium-5-ol CAS Name: 2-(cyclohexylamino)-1-(2-hydroxyethyl)-4-methyl-5-benzo[e][1,3]benzothiazol-1-iumol IUPAC Name: 2-(cyclohexylamino)-1-(2-hydroxyethyl)-4-methylbenzo[e][1,3]benzothiazol-1-ium-5-ol Traditional Name: 2-(cyclohexylamino)-1-(2-hydroxyethyl)-4-methyl-benzo[e][1,3]benzothiazol-1-ium-5-ol Formula: C20H25N2O2S+ MolecularWeight: 357.4897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C3=C1SC(=[N+]3CCO)NC4CCCCC4)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2C3=C1SC(=[N+]3CCO)NC4CCCCC4)O

InChI

InChI=1S/C20H24N2O2S/c1-13-18(24)16-10-6-5-9-15(16)17-19(13)25-20(22(17)11-12-23)21-14-7-3-2-4-8-14/h5-6,9-10,14,23-24H,2-4,7-8,11-12H2,1H3/p+1